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(Q105380501)
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Acetylsenkirkine
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
(4-Ethylidene-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-7-yl) acetate
1 reference
based on heuristic
inferred from SMILES
mass
407.194402268
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
[(1R,4E,6S,7S,11Z)-4-ethylidene-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-7-yl] acetate
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
[(1R,4E,6S,7R)-4-ethylidene-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-7-yl] acetate
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
[(1R,4Z,6S,7S,11Z)-4-ethylidene-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-7-yl] acetate
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
[(1R,4E,6S,7R,11Z)-4-ethylidene-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-7-yl] acetate
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
[(1R,4Z,6S,7S)-4-ethylidene-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-7-yl] acetate
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
Ligularidine
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
[(1S,4Z,6S,7S)-4-ethylidene-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-7-yl] acetate
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
Neoligularidine
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
[(1R,4Z,6R,7R,11Z)-4-ethylidene-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-7-yl] acetate
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₁H₂₉NO₇
0 references
canonical SMILES
O=C1OC2C(=O)C(=CCN(C)CC2)COC(=O)C(OC(=O)C)(C)C(C)CC1=CC
0 references
isomeric SMILES
C/C=C1/C[C@H](C)[C@](C)(OC(C)=O)C(=O)OC/C2=C/CN(C)CC[C@H](OC1=O)C2=O
0 references
found in taxon
Pittocaulon filare
1 reference
stated in
Pyrrolizidine alkaloids of the endemic Mexican genus Pittocaulon and assignment of stereoisomeric 1,2-saturated necine bases
Pittocaulon hintonii
1 reference
stated in
Pyrrolizidine alkaloids of the endemic Mexican genus Pittocaulon and assignment of stereoisomeric 1,2-saturated necine bases
Senecio illinitus
1 reference
stated in
Pyrrolizidine alkaloids from Senecio longilobus and Senecio glabellus
Senecio rodriguezii
1 reference
stated in
Pyrrolizidine alkaloids from Senecio leucanthemifolius and Senecio rodriguezii
Senecio varicosus
1 reference
stated in
Pyrrolizidine alkaloids from Senecio leucanthemifolius and Senecio rodriguezii
Identifiers
InChI
InChI=1S/C21H29NO7/c1-6-15-11-13(2)21(4,29-14(3)23)20(26)27-12-16-7-9-22(5)10-8-17(18(16)24)28-19(15)25/h6-7,13,17H,8-12H2,1-5H3/b15-6-,16-7-/t13-,17-,21-/m0/s1
0 references
InChIKey
ZOIAVVNLMDKOIV-ZLGRCFMTSA-N
0 references
PubChem CID
6428023
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
ZOIAVVNLMDKOIV-ZLGRCFMTSA-N
UniChem compound ID
60527060
1 reference
stated in
UniChem
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